Acta Cryst. (2006). E62, m429-m431  [ doi:10.1107/S1600536806003643 ]

Di--bromo-2²Br:2'²Br-bis[bis(-acetylacetonato-1O:2O')bromo-2Br-bis(tetrahydrofuran-1O)cadmium(II)nickel(II)]

M. Döring, G. Hahn and W. Imhof

Online 3 February 2006

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.013 Å
• R factor = 0.067
• wR factor = 0.195
• Data-to-parameter ratio = 21.6

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C
DIFMX01_ALERT_2_C  The maximum difference density is > 0.1*ZMAX*0.75
            _refine_diff_density_max given =      3.908
            Test value =      3.600
DIFMX02_ALERT_1_C  The maximum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT097_ALERT_2_C Maximum (Positive) Residual Density ............       3.91 e/A   3
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C11     
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         13       
PLAT731_ALERT_1_C Bond    Calc    2.717(3), Rep  2.7168(12) ......       2.50 su-Rat
              CD   -BR1     1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc    3.345(4), Rep  3.3450(11) ......       3.64 su-Rat
              CD   -NI      1.555   1.555                                       

Alert level G
REFLE01_ALERT_1_G  _reflns_observed_criterion is an old dataname which has been
            superseded by _reflns_threshold_expression
REFLG01_ALERT_1_G  _reflns_number_observed is an old dataname which has been
            superseded by _reflns_number_gt

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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